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CAS Number: 4292-92-6

SMILES : C(CCCC1)(C1)CCCCC

CHEM : Cyclohexane, pentyl-

MOL FOR: C11 H22

MOL WT : 154.30

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 5.56

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 194.67 (Adapted Stein & Brown method)

Melting Pt (deg C): -26.02 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.434 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 57.8 (Mean VP of Antoine & Grain methods)

MP (exp database): -57.5 deg C

BP (exp database): 203.7 deg C

VP (exp database): 3.72E-01 mm Hg (4.96E+001 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.3783

log Kow used: 5.56 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.19242 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.05E+000 atm-m3/mole (1.07E+005 Pa-m3/mole)

Group Method: 1.31E+000 atm-m3/mole (1.33E+005 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.329E-001 atm-m3/mole (2.360E+004 Pa-m3/mole)

VP: 0.434 mm Hg (source: MPBPVP)

WS: 0.378 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 5.56 (KowWin est)

Log Kaw used: 1.633 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.927

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7825

Biowin2 (Non-Linear Model) : 0.9347

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1565 (weeks )

Biowin4 (Primary Survey Model) : 3.8942 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5623

Biowin6 (MITI Non-Linear Model): 0.7030

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0179

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.1295

BioHC Half-Life (days) : 13.4756

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 49.6 Pa (0.372 mm Hg)

Log Koa (Koawin est ): 3.927

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 6.05E-008

Octanol/air (Koa) model: 2.07E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.18E-006

Mackay model : 4.84E-006

Octanol/air (Koa) model: 1.66E-007

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.2306 E-12 cm3/molecule-sec

Half-Life = 0.659 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.908 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.51E-006 (Junge-Pankow, Mackay avg)

1.66E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2700 L/kg (MCI method)

Log Koc: 3.431 (MCI method)

Koc : 6.685E+004 L/kg (Kow method)

Log Koc: 4.825 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.334 (BCF = 2157 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6452 days (HL = 4.418 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.200 (BCF = 1586)

Log BAF Arnot-Gobas method (upper trophic) = 3.323 (BAF = 2104)

log Kow used: 5.56 (estimated)

Volatilization from Water:

Henry LC: 1.05 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.268 hours

Half-Life from Model Lake : 118 hours (4.916 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.77 percent

Total biodegradation: 0.18 percent

Total sludge adsorption: 56.68 percent

Total to Air: 42.92 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 17.2 15.8 1000

Water 70.4 360 1000

Soil 6.43 720 1000

Sediment 5.97 3.24e+003 0

Persistence Time: 87.8 hr

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